3-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide

C15H12FN3O2S — CID 25041480

IUPAC3-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1[nH]ncc1-c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C15H12FN3O2S/c16-12-7-4-8-13(9-12)22(20,21)19-15-14(10-17-18-15)11-5-2-1-3-6-11/h1-10H,(H2,17,18,19)
InChIKeyJYVUYUFHGWYNDJ-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.02
Rot. Bonds4

About 3-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide

3-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 25041480) has the molecular formula C15H12FN3O2S and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID25041480
Molecular FormulaC15H12FN3O2S
Molecular Weight317.35 g/mol
Exact Mass317.06
IUPAC Name3-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1[nH]ncc1-c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C15H12FN3O2S/c16-12-7-4-8-13(9-12)22(20,21)19-15-14(10-17-18-15)11-5-2-1-3-6-11/h1-10H,(H2,17,18,19)
InChIKeyJYVUYUFHGWYNDJ-UHFFFAOYSA-N
XLogP3.02
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide (CID 25041480) is 3-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide is O=S(=O)(Nc1[nH]ncc1-c1ccccc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is JYVUYUFHGWYNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S/c16-12-7-4-8-13(9-12)22(20,21)19-15-14(10-17-18-15)11-5-2-1-3-6-11/h1-10H,(H2,17,18,19).
What are the key properties of 3-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide?
3-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 317.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-phenyl-1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 25041480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).